methyl N-[4-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: methyl N-[4-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: methyl N-[4-benzyl-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(phenylmethyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-benzyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid methyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)OC

InChI

InChI=1S/C21H29N3O5S2/c1-16(2)30(25,26)21-15-24(12-11-22-21)20-14-18(13-17-7-5-4-6-8-17)9-10-19(20)23-31(27,28)29-3/h4-10,14,16,21-23H,11-13,15H2,1-3H3